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Compile Data Set for Download or QSAR

Found 4118 hits with Last Name = 'johnson' and Initial = 'g'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melatonin receptor


(Homo sapiens (Human))
BDBM50140304
PNG
(CHEMBL19211 | N-[(1R,2R)-2-(2-Propyl-2,3-dihydro-b...)
Show SMILES CCCC1Nc2cccc([C@@H]3C[C@H]3CNC(=O)CCC)c2O1
Show InChI InChI=1S/C18H26N2O2/c1-3-6-16(21)19-11-12-10-14(12)13-8-5-9-15-18(13)22-17(20-15)7-4-2/h5,8-9,12,14,17,20H,3-4,6-7,10-11H2,1-2H3,(H,19,21)/t12-,14+,17?/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50452033
PNG
(CHEMBL2112690)
Show SMILES CCC(=O)NC[C@@H]1C[C@H]1c1cccc2nc(CCCCc3ccccc3)oc12
Show InChI InChI=1S/C24H28N2O2/c1-2-22(27)25-16-18-15-20(18)19-12-8-13-21-24(19)28-23(26-21)14-7-6-11-17-9-4-3-5-10-17/h3-5,8-10,12-13,18,20H,2,6-7,11,14-16H2,1H3,(H,25,27)/t18-,20+/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50140301
PNG
(CHEMBL19026 | N-{(1R,2R)-2-[2-(4-Phenyl-butyl)-2,3...)
Show SMILES CCCC(=O)NC[C@@H]1C[C@H]1c1cccc2NC(CCCCc3ccccc3)Oc12
Show InChI InChI=1S/C25H32N2O2/c1-2-9-23(28)26-17-19-16-21(19)20-13-8-14-22-25(20)29-24(27-22)15-7-6-12-18-10-4-3-5-11-18/h3-5,8,10-11,13-14,19,21,24,27H,2,6-7,9,12,15-17H2,1H3,(H,26,28)/t19-,21+,24?/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50452032
PNG
(CHEMBL2112727)
Show SMILES CCC(=O)NC[C@@H]1C[C@H]1c1cccc2nc(CC)oc12
Show InChI InChI=1S/C16H20N2O2/c1-3-14(19)17-9-10-8-12(10)11-6-5-7-13-16(11)20-15(4-2)18-13/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,17,19)/t10-,12+/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50452035
PNG
(CHEMBL2112722)
Show SMILES CCCC(=O)NC[C@@H]1C[C@H]1c1cccc2nc(CC)oc12
Show InChI InChI=1S/C17H22N2O2/c1-3-6-15(20)18-10-11-9-13(11)12-7-5-8-14-17(12)21-16(4-2)19-14/h5,7-8,11,13H,3-4,6,9-10H2,1-2H3,(H,18,20)/t11-,13+/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50452036
PNG
(CHEMBL2112734)
Show SMILES O=C(NC[C@@H]1C[C@H]1c1cccc2nc(CCCCc3ccccc3)oc12)C1CC1
Show InChI InChI=1S/C25H28N2O2/c28-25(18-13-14-18)26-16-19-15-21(19)20-10-6-11-22-24(20)29-23(27-22)12-5-4-9-17-7-2-1-3-8-17/h1-3,6-8,10-11,18-19,21H,4-5,9,12-16H2,(H,26,28)/t19-,21+/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50452034
PNG
(CHEMBL2112724)
Show SMILES CCc1nc2cccc([C@@H]3C[C@H]3CNC(=O)C3CC3)c2o1
Show InChI InChI=1S/C17H20N2O2/c1-2-15-19-14-5-3-4-12(16(14)21-15)13-8-11(13)9-18-17(20)10-6-7-10/h3-5,10-11,13H,2,6-9H2,1H3,(H,18,20)/t11-,13+/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50452037
PNG
(CHEMBL2112700)
Show SMILES CC(=O)NC[C@@H]1C[C@H]1c1cccc2nc(CCCCc3ccccc3)oc12
Show InChI InChI=1S/C23H26N2O2/c1-16(26)24-15-18-14-20(18)19-11-7-12-21-23(19)27-22(25-21)13-6-5-10-17-8-3-2-4-9-17/h2-4,7-9,11-12,18,20H,5-6,10,13-15H2,1H3,(H,24,26)/t18-,20+/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50452033
PNG
(CHEMBL2112690)
Show SMILES CCC(=O)NC[C@@H]1C[C@H]1c1cccc2nc(CCCCc3ccccc3)oc12
Show InChI InChI=1S/C24H28N2O2/c1-2-22(27)25-16-18-15-20(18)19-12-8-13-21-24(19)28-23(26-21)14-7-6-11-17-9-4-3-5-10-17/h3-5,8-10,12-13,18,20H,2,6-7,11,14-16H2,1H3,(H,25,27)/t18-,20+/m0/s1
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0.0700n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50140299
PNG
(CHEMBL276921 | N-[(1R,2R)-2-(2-Propyl-2,3-dihydro-...)
Show SMILES CCCC1Nc2cccc([C@@H]3C[C@H]3CNC(=O)CC)c2O1
Show InChI InChI=1S/C17H24N2O2/c1-3-6-16-19-14-8-5-7-12(17(14)21-16)13-9-11(13)10-18-15(20)4-2/h5,7-8,11,13,16,19H,3-4,6,9-10H2,1-2H3,(H,18,20)/t11-,13+,16?/m0/s1
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0.0800n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50140293
PNG
(CHEMBL19128 | N-[(1R,2R)-2-(2-Propyl-2,3-dihydro-b...)
Show SMILES CCCC1Nc2cccc([C@@H]3C[C@H]3CNC(C)=O)c2O1
Show InChI InChI=1S/C16H22N2O2/c1-3-5-15-18-14-7-4-6-12(16(14)20-15)13-8-11(13)9-17-10(2)19/h4,6-7,11,13,15,18H,3,5,8-9H2,1-2H3,(H,17,19)/t11-,13+,15?/m0/s1
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0.130n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50140308
PNG
(CHEMBL18845 | N-{(1R,2R)-2-[2-(4-Phenyl-butyl)-2,3...)
Show SMILES CC(C)C(=O)NC[C@@H]1C[C@H]1c1cccc2NC(CCCCc3ccccc3)Oc12
Show InChI InChI=1S/C25H32N2O2/c1-17(2)25(28)26-16-19-15-21(19)20-12-8-13-22-24(20)29-23(27-22)14-7-6-11-18-9-4-3-5-10-18/h3-5,8-10,12-13,17,19,21,23,27H,6-7,11,14-16H2,1-2H3,(H,26,28)/t19-,21+,23?/m0/s1
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0.130n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50140302
PNG
(CHEMBL279343 | Cyclopropanecarboxylic acid [(1R,2R...)
Show SMILES CCCC1Nc2cccc([C@@H]3C[C@H]3CNC(=O)C3CC3)c2O1
Show InChI InChI=1S/C18H24N2O2/c1-2-4-16-20-15-6-3-5-13(17(15)22-16)14-9-12(14)10-19-18(21)11-7-8-11/h3,5-6,11-12,14,16,20H,2,4,7-10H2,1H3,(H,19,21)/t12-,14+,16?/m0/s1
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0.140n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50045792
PNG
(3-[3,4-Dimethyl-1-(4-methyl-pent-4-enyl)-piperidin...)
Show SMILES C[C@H]1CN(CCCC(C)=C)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C19H29NO/c1-15(2)7-6-11-20-12-10-19(4,16(3)14-20)17-8-5-9-18(21)13-17/h5,8-9,13,16,21H,1,6-7,10-12,14H2,2-4H3/t16-,19+/m0/s1
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0.170n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu-opioid receptor by the displacement of [3H]-Nal in rat brain homogenates


J Med Chem 36: 2842-50 (1993)


BindingDB Entry DOI: 10.7270/Q2R78D9W
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50202406
PNG
((+)-(1R,2R,4S,5S,6S)-4-amino-2-thiabicyclo[3.1.0]h...)
Show SMILES N[C@]1(CS(=O)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C7H9NO5S/c8-7(6(11)12)1-14(13)4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+,14?/m1/s1
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0.170n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]LY341495 from human recombinant mGluR3 in RGT cells


J Med Chem 50: 233-40 (2007)


Article DOI: 10.1021/jm060917u
BindingDB Entry DOI: 10.7270/Q21Z442N
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50140302
PNG
(CHEMBL279343 | Cyclopropanecarboxylic acid [(1R,2R...)
Show SMILES CCCC1Nc2cccc([C@@H]3C[C@H]3CNC(=O)C3CC3)c2O1
Show InChI InChI=1S/C18H24N2O2/c1-2-4-16-20-15-6-3-5-13(17(15)22-16)14-9-12(14)10-19-18(21)11-7-8-11/h3,5-6,11-12,14,16,20H,2,4,7-10H2,1H3,(H,19,21)/t12-,14+,16?/m0/s1
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0.180n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50452034
PNG
(CHEMBL2112724)
Show SMILES CCc1nc2cccc([C@@H]3C[C@H]3CNC(=O)C3CC3)c2o1
Show InChI InChI=1S/C17H20N2O2/c1-2-15-19-14-5-3-4-12(16(14)21-15)13-8-11(13)9-18-17(20)10-6-7-10/h3-5,10-11,13H,2,6-9H2,1H3,(H,18,20)/t11-,13+/m0/s1
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0.190n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50140305
PNG
(CHEMBL431103 | N-[(1R,2R)-2-(2-Ethyl-2,3-dihydro-b...)
Show SMILES CCC1Nc2cccc([C@@H]3C[C@H]3CNC(=O)C(C)C)c2O1
Show InChI InChI=1S/C17H24N2O2/c1-4-15-19-14-7-5-6-12(16(14)21-15)13-8-11(13)9-18-17(20)10(2)3/h5-7,10-11,13,15,19H,4,8-9H2,1-3H3,(H,18,20)/t11-,13+,15?/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50045733
PNG
(3-[3,4-Dimethyl-1-(3-thiophen-2-yl-propyl)-piperid...)
Show SMILES C[C@H]1CN(CCCc2cccs2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C20H27NOS/c1-16-15-21(11-4-8-19-9-5-13-23-19)12-10-20(16,2)17-6-3-7-18(22)14-17/h3,5-7,9,13-14,16,22H,4,8,10-12,15H2,1-2H3/t16-,20+/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu-opioid receptor by the displacement of [3H]-Nal in rat brain homogenates


J Med Chem 36: 2842-50 (1993)


BindingDB Entry DOI: 10.7270/Q2R78D9W
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50045733
PNG
(3-[3,4-Dimethyl-1-(3-thiophen-2-yl-propyl)-piperid...)
Show SMILES C[C@H]1CN(CCCc2cccs2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C20H27NOS/c1-16-15-21(11-4-8-19-9-5-13-23-19)12-10-20(16,2)17-6-3-7-18(22)14-17/h3,5-7,9,13-14,16,22H,4,8,10-12,15H2,1-2H3/t16-,20+/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu-opioid receptor by displacement of [3H]-NAL at 10 nM from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50150431
PNG
((S)-N2-(2-(4-fluorophenoxy)ethyl)-N4-(1-phenylethy...)
Show SMILES C[C@H](Nc1ccnc(NCCOc2ccc(F)cc2)c1)c1ccccc1
Show InChI InChI=1S/C21H22FN3O/c1-16(17-5-3-2-4-6-17)25-19-11-12-23-21(15-19)24-13-14-26-20-9-7-18(22)8-10-20/h2-12,15-16H,13-14H2,1H3,(H2,23,24,25)/t16-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50140299
PNG
(CHEMBL276921 | N-[(1R,2R)-2-(2-Propyl-2,3-dihydro-...)
Show SMILES CCCC1Nc2cccc([C@@H]3C[C@H]3CNC(=O)CC)c2O1
Show InChI InChI=1S/C17H24N2O2/c1-3-6-16-19-14-8-5-7-12(17(14)21-16)13-9-11(13)10-18-15(20)4-2/h5,7-8,11,13,16,19H,3-4,6,9-10H2,1-2H3,(H,18,20)/t11-,13+,16?/m0/s1
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0.220n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50140301
PNG
(CHEMBL19026 | N-{(1R,2R)-2-[2-(4-Phenyl-butyl)-2,3...)
Show SMILES CCCC(=O)NC[C@@H]1C[C@H]1c1cccc2NC(CCCCc3ccccc3)Oc12
Show InChI InChI=1S/C25H32N2O2/c1-2-9-23(28)26-17-19-16-21(19)20-13-8-14-22-25(20)29-24(27-22)15-7-6-12-18-10-4-3-5-11-18/h3-5,8,10-11,13-14,19,21,24,27H,2,6-7,9,12,15-17H2,1H3,(H,26,28)/t19-,21+,24?/m0/s1
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0.240n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50045742
PNG
(3-[3,4-Dimethyl-1-(3-thiophen-3-yl-propyl)-piperid...)
Show SMILES C[C@H]1CN(CCCc2ccsc2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C20H27NOS/c1-16-14-21(10-4-5-17-8-12-23-15-17)11-9-20(16,2)18-6-3-7-19(22)13-18/h3,6-8,12-13,15-16,22H,4-5,9-11,14H2,1-2H3/t16-,20+/m0/s1
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0.260n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu-opioid receptor by displacement of [3H]-NAL at 10 nM from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50045742
PNG
(3-[3,4-Dimethyl-1-(3-thiophen-3-yl-propyl)-piperid...)
Show SMILES C[C@H]1CN(CCCc2ccsc2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C20H27NOS/c1-16-14-21(10-4-5-17-8-12-23-15-17)11-9-20(16,2)18-6-3-7-19(22)13-18/h3,6-8,12-13,15-16,22H,4-5,9-11,14H2,1-2H3/t16-,20+/m0/s1
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0.260n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu-opioid receptor by the displacement of [3H]-Nal in rat brain homogenates


J Med Chem 36: 2842-50 (1993)


BindingDB Entry DOI: 10.7270/Q2R78D9W
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50140311
PNG
(CHEMBL19050 | N-[(1R,2R)-2-(2-Propyl-2,3-dihydro-b...)
Show SMILES CCCC1Nc2cccc([C@@H]3C[C@H]3CNC(=O)C(C)C)c2O1
Show InChI InChI=1S/C18H26N2O2/c1-4-6-16-20-15-8-5-7-13(17(15)22-16)14-9-12(14)10-19-18(21)11(2)3/h5,7-8,11-12,14,16,20H,4,6,9-10H2,1-3H3,(H,19,21)/t12-,14+,16?/m0/s1
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0.280n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50045738
PNG
((3R,4R)3-(1-Hexyl-3,4-dimethyl-piperidin-4-yl)-phe...)
Show SMILES CCCCCCN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1
Show InChI InChI=1S/C19H31NO/c1-4-5-6-7-12-20-13-11-19(3,16(2)15-20)17-9-8-10-18(21)14-17/h8-10,14,16,21H,4-7,11-13,15H2,1-3H3/t16-,19+/m0/s1
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0.290n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu-opioid receptor by the displacement of [3H]-Nal in rat brain homogenates


J Med Chem 36: 2842-50 (1993)


BindingDB Entry DOI: 10.7270/Q2R78D9W
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50045738
PNG
((3R,4R)3-(1-Hexyl-3,4-dimethyl-piperidin-4-yl)-phe...)
Show SMILES CCCCCCN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1
Show InChI InChI=1S/C19H31NO/c1-4-5-6-7-12-20-13-11-19(3,16(2)15-20)17-9-8-10-18(21)14-17/h8-10,14,16,21H,4-7,11-13,15H2,1-3H3/t16-,19+/m0/s1
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0.290n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by displacement of [3H]-NAL from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50045776
PNG
(CHEMBL982 | JF-1 | NALMEFENE | Nalmetrene | ORF-11...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=C)CC[C@@]35O |r|
Show InChI InChI=1S/C21H25NO3/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23-24H,1-3,6-11H2/t16-,19+,20+,21-/m1/s1
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0.290n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu-opioid receptor by the displacement of [3H]-Nal in rat brain homogenates


J Med Chem 36: 2842-50 (1993)


BindingDB Entry DOI: 10.7270/Q2R78D9W
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50045780
PNG
(3-[1-(3-Cyclohexyl-3-hydroxy-propyl)-3,4-dimethyl-...)
Show SMILES C[C@H]1CN(CCC(O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C22H35NO2/c1-17-16-23(13-11-21(25)18-7-4-3-5-8-18)14-12-22(17,2)19-9-6-10-20(24)15-19/h6,9-10,15,17-18,21,24-25H,3-5,7-8,11-14,16H2,1-2H3/t17-,21?,22+/m0/s1
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0.290n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu-opioid receptor by the displacement of [3H]-Nal in rat brain homogenates


J Med Chem 36: 2842-50 (1993)


BindingDB Entry DOI: 10.7270/Q2R78D9W
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50045779
PNG
(3-[3,4-Dimethyl-1-(4-methyl-pentyl)-piperidin-4-yl...)
Show SMILES CC(C)CCCN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1
Show InChI InChI=1S/C19H31NO/c1-15(2)7-6-11-20-12-10-19(4,16(3)14-20)17-8-5-9-18(21)13-17/h5,8-9,13,15-16,21H,6-7,10-12,14H2,1-4H3/t16-,19+/m0/s1
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0.290n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu-opioid receptor by the displacement of [3H]-Nal in rat brain homogenates


J Med Chem 36: 2842-50 (1993)


BindingDB Entry DOI: 10.7270/Q2R78D9W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50150430
PNG
(CHEMBL183277 | N*2*-[2-(4-Fluoro-phenoxy)-ethyl]-N...)
Show SMILES C[C@H](Nc1ccnc(NCCOc2ccc(F)cc2)n1)c1ccccc1
Show InChI InChI=1S/C20H21FN4O/c1-15(16-5-3-2-4-6-16)24-19-11-12-22-20(25-19)23-13-14-26-18-9-7-17(21)8-10-18/h2-12,15H,13-14H2,1H3,(H2,22,23,24,25)/t15-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50150439
PNG
(CHEMBL182923 | N*2*-Phenethyl-N*4*-((S)-1-phenyl-e...)
Show SMILES C[C@H](Nc1ccnc(NCCc2ccccc2)c1)c1ccccc1
Show InChI InChI=1S/C21H23N3/c1-17(19-10-6-3-7-11-19)24-20-13-15-23-21(16-20)22-14-12-18-8-4-2-5-9-18/h2-11,13,15-17H,12,14H2,1H3,(H2,22,23,24)/t17-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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0.300n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Melatonin receptor type 1B by using 2-[125I]-iodomelatonin as radioligand


Bioorg Med Chem Lett 14: 3799-802 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.082
BindingDB Entry DOI: 10.7270/Q2S75FSR
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50045748
PNG
(3-{1-[2-(3-Chloro-phenyl)-ethyl]-3,4-dimethyl-pipe...)
Show SMILES C[C@H]1CN(CCc2cccc(Cl)c2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C21H26ClNO/c1-16-15-23(11-9-17-5-3-7-19(22)13-17)12-10-21(16,2)18-6-4-8-20(24)14-18/h3-8,13-14,16,24H,9-12,15H2,1-2H3/t16-,21+/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by displacement of [3H]-NAL from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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0.300n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50140313
PNG
(CHEMBL428692 | N-[(1R,2R)-2-(2-Isopropyl-2,3-dihyd...)
Show SMILES CCC(=O)NC[C@@H]1C[C@H]1c1cccc2NC(Oc12)C(C)C
Show InChI InChI=1S/C17H24N2O2/c1-4-15(20)18-9-11-8-13(11)12-6-5-7-14-16(12)21-17(19-14)10(2)3/h5-7,10-11,13,17,19H,4,8-9H2,1-3H3,(H,18,20)/t11-,13+,17?/m0/s1
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0.320n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50452035
PNG
(CHEMBL2112722)
Show SMILES CCCC(=O)NC[C@@H]1C[C@H]1c1cccc2nc(CC)oc12
Show InChI InChI=1S/C17H22N2O2/c1-3-6-15(20)18-10-11-9-13(11)12-7-5-8-14-17(12)21-16(4-2)19-14/h5,7-8,11,13H,3-4,6,9-10H2,1-2H3,(H,18,20)/t11-,13+/m0/s1
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0.330n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50045781
PNG
(1-Cyclohexyl-3-[4-(3-hydroxy-phenyl)-3,4-dimethyl-...)
Show SMILES C[C@H]1CN(CCC(=O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C22H33NO2/c1-17-16-23(13-11-21(25)18-7-4-3-5-8-18)14-12-22(17,2)19-9-6-10-20(24)15-19/h6,9-10,15,17-18,24H,3-5,7-8,11-14,16H2,1-2H3/t17-,22+/m0/s1
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0.340n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu-opioid receptor by the displacement of [3H]-Nal in rat brain homogenates


J Med Chem 36: 2842-50 (1993)


BindingDB Entry DOI: 10.7270/Q2R78D9W
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50140315
PNG
(CHEMBL18960 | N-[(1R,2R)-2-(2-Ethyl-2,3-dihydro-be...)
Show SMILES CCC1Nc2cccc([C@@H]3C[C@H]3CNC(C)=O)c2O1
Show InChI InChI=1S/C15H20N2O2/c1-3-14-17-13-6-4-5-11(15(13)19-14)12-7-10(12)8-16-9(2)18/h4-6,10,12,14,17H,3,7-8H2,1-2H3,(H,16,18)/t10-,12+,14?/m0/s1
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0.350n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50452037
PNG
(CHEMBL2112700)
Show SMILES CC(=O)NC[C@@H]1C[C@H]1c1cccc2nc(CCCCc3ccccc3)oc12
Show InChI InChI=1S/C23H26N2O2/c1-16(26)24-15-18-14-20(18)19-11-7-12-21-23(19)27-22(25-21)13-6-5-10-17-8-3-2-4-9-17/h2-4,7-9,11-12,18,20H,5-6,10,13-15H2,1H3,(H,24,26)/t18-,20+/m0/s1
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0.370n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50045791
PNG
(3-[1-(3-Cyclopentyl-propyl)-3,4-dimethyl-piperidin...)
Show SMILES C[C@H]1CN(CCCC2CCCC2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C21H33NO/c1-17-16-22(13-6-9-18-7-3-4-8-18)14-12-21(17,2)19-10-5-11-20(23)15-19/h5,10-11,15,17-18,23H,3-4,6-9,12-14,16H2,1-2H3/t17-,21+/m0/s1
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0.370n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu-opioid receptor by the displacement of [3H]-Nal in rat brain homogenates


J Med Chem 36: 2842-50 (1993)


BindingDB Entry DOI: 10.7270/Q2R78D9W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50150425
PNG
(CHEMBL184607 | N*4*-(2-Phenoxy-ethyl)-N*2*-((S)-1-...)
Show SMILES C[C@H](Nc1cc(NCCOc2ccccc2)ccn1)c1ccccc1
Show InChI InChI=1S/C21H23N3O/c1-17(18-8-4-2-5-9-18)24-21-16-19(12-13-23-21)22-14-15-25-20-10-6-3-7-11-20/h2-13,16-17H,14-15H2,1H3,(H2,22,23,24)/t17-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50150441
PNG
(CHEMBL181605 | N*2*-[2-(4-Fluoro-phenyl)-ethyl]-N*...)
Show SMILES C[C@H](Nc1ccnc(NCCc2ccc(F)cc2)c1)c1ccccc1
Show InChI InChI=1S/C21H22FN3/c1-16(18-5-3-2-4-6-18)25-20-12-14-24-21(15-20)23-13-11-17-7-9-19(22)10-8-17/h2-10,12,14-16H,11,13H2,1H3,(H2,23,24,25)/t16-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50150446
PNG
(CHEMBL181356 | N*2*-(2-Phenoxy-ethyl)-N*4*-((S)-1-...)
Show SMILES C[C@H](Nc1ccnc(NCCOc2ccccc2)c1)c1ccccc1
Show InChI InChI=1S/C21H23N3O/c1-17(18-8-4-2-5-9-18)24-19-12-13-22-21(16-19)23-14-15-25-20-10-6-3-7-11-20/h2-13,16-17H,14-15H2,1H3,(H2,22,23,24)/t17-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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0.400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human Melatonin receptor type 1A by using 2-[125I]-iodomelatonin as radioligand


Bioorg Med Chem Lett 14: 3799-802 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.082
BindingDB Entry DOI: 10.7270/Q2S75FSR
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50150428
PNG
(CHEMBL183423 | N*4*-[2-(4-Fluoro-phenoxy)-ethyl]-N...)
Show SMILES C[C@H](Nc1cc(NCCOc2ccc(F)cc2)ccn1)c1ccccc1
Show InChI InChI=1S/C21H22FN3O/c1-16(17-5-3-2-4-6-17)25-21-15-19(11-12-24-21)23-13-14-26-20-9-7-18(22)8-10-20/h2-12,15-16H,13-14H2,1H3,(H2,23,24,25)/t16-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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0.400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A


Bioorg Med Chem Lett 14: 1197-200 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.052
BindingDB Entry DOI: 10.7270/Q2CF9PJC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50045775
PNG
((3R,4R)3-[1-(3-Cyclohexyl-3-hydroxy-propyl)-3,4-di...)
Show SMILES C[C@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C22H35NO2/c1-17-16-23(13-11-21(25)18-7-4-3-5-8-18)14-12-22(17,2)19-9-6-10-20(24)15-19/h6,9-10,15,17-18,21,24-25H,3-5,7-8,11-14,16H2,1-2H3/t17-,21-,22+/m0/s1
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0.410n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu-opioid receptor by the displacement of [3H]-Nal in rat brain homogenates


J Med Chem 36: 2842-50 (1993)


BindingDB Entry DOI: 10.7270/Q2R78D9W
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50045786
PNG
(3-[1-(3-Cyclopentyl-3-hydroxy-propyl)-3,4-dimethyl...)
Show SMILES C[C@H]1CN(CCC(O)C2CCCC2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C21H33NO2/c1-16-15-22(12-10-20(24)17-6-3-4-7-17)13-11-21(16,2)18-8-5-9-19(23)14-18/h5,8-9,14,16-17,20,23-24H,3-4,6-7,10-13,15H2,1-2H3/t16-,20?,21+/m0/s1
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0.410n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu-opioid receptor by the displacement of [3H]-Nal in rat brain homogenates


J Med Chem 36: 2842-50 (1993)


BindingDB Entry DOI: 10.7270/Q2R78D9W
More data for this
Ligand-Target Pair
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